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828268-56-0

828268-56-0 | 1H-1,2,4-Triazolium, 3-azido-1,4-dimethyl-, iodide

CAS No: 828268-56-0 Catalog No: AG004XKT MDL No:

Product Description

Catalog Number:
AG004XKT
Chemical Name:
1H-1,2,4-Triazolium, 3-azido-1,4-dimethyl-, iodide
CAS Number:
828268-56-0
Molecular Formula:
C4H9IN6
Molecular Weight:
268.0589
IUPAC Name:
3-azido-1,4-dimethyl-1,5-dihydro-1,2,4-triazol-1-ium;iodide
InChI:
InChI=1S/C4H8N6.HI/c1-9-3-10(2)7-4(9)6-8-5;/h3H2,1-2H3;1H
InChI Key:
WMLUBCQVNQEECC-UHFFFAOYSA-N
SMILES:
[N-]=[N+]=NC1=N[NH+](CN1C)C.[I-]

Properties

Complexity:
202  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.993g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
268.062g/mol
Monoisotopic Mass:
267.993g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
34.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1  

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